Nitrocaphane

Modify Date: 2025-08-23 18:09:45

Nitrocaphane structure	Common Name	Nitrocaphane
	CAS Number	54940-95-3	Molecular Weight	364.22400
	Density	1.392g/cm3	Boiling Point	475.2ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₉Cl₂N₃O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	241.2ºC

Name	Nitrocaphane/3
Synonym	More Synonyms

Density	1.392g/cm3
Boiling Point	475.2ºC at 760 mmHg
Molecular Formula	C₁₄H₁₉Cl₂N₃O₄
Molecular Weight	364.22400
Flash Point	241.2ºC
Exact Mass	363.07500
PSA	112.38000
LogP	3.05230
Index of Refraction	1.595
InChIKey	VEBTZMUIBMIPCD-UHFFFAOYSA-N
SMILES	NC(Cc1cc([N+](=O)[O-])ccc1CN(CCCl)CCCl)C(=O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SQ7329600

CHEMICAL NAME :: Phenylalanine, 2-((bis(2-chloroethyl)amino)methyl)-5-nitro-

CAS REGISTRY NUMBER :: 54940-95-3

LAST UPDATED :: 198305

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C14-H19-Cl2-N3-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,121,1981

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 15100 ug/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,121,1981

Nitrocaphane

At-1258

Phenylalanine,2-((bis(2-chloroethyl)amino)methyl)-5-nitro

2-((Bis(2-chloroethyl)amino)methyl)-5-nitrophenylalanine

3-[2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenyl]-2-aminopropionic acid

(S)-2-Amino-3-(2-((bis(2-chloroethyl)amino)methyl)-5-nitrophenyl)propanoic acid

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Nitrocaphane
Price: Check
Purity: 98.0%
Delivery: 10 Day
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Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Nitrocaphane
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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